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CHEBI:69174 - trigoheteric acid methyl ester, (rel)-

ChEBI IDCHEBI:69174
ChEBI Nametrigoheteric acid methyl ester, (rel)-
Stars
DefinitionA natural product found in Trigonostemon heterophyllus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@]1(C(=C)C)CCc2cc(C)c(O)cc2[C@]1(C)CCC(=O)OC
InChIInChI=1S/C19H26O3/c1-12(2)15-7-6-14-10-13(3)17(20)11-16(14)19(15,4)9-8-18(21)22-5/h10-11,15,20H,1,6-9H2,2-5H3/t15-,19-/m1/s1
InChIKeyZKQCHMDFCJRXNI-DNVCBOLYSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon heterophyllus (IPNI:358015-1) twig (BTO:0001411) PubMed (22122667) 95% EtOH extract of powdered and air-dried twigs
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
trigoheteric acid methyl ester, (rel)- (CHEBI:69174) has role metabolite (CHEBI:25212)
trigoheteric acid methyl ester, (rel)- (CHEBI:69174) is a tetralins (CHEBI:36786)
Synonym  Source
rel-15,16-dinor-3,4-seco-sonderianolChEBI
Citations